Related papers: Orbital ordering in charge transfer insulators
To study digital Mott insulator LaTiO3 and band insulator SrTiO3 interfaces, we apply correlated band theory (LDA+U) to (n,m) multilayers, 1<n,m<9. If the on-site repulsion on Ti is large enough to model the magnetic insulating behavior of…
We report resonant x-ray scattering data of the orbital and magnetic ordering at low temperatures at the Mn $L_{\rm 2,3}$ edges in \lsmo. The orderings display complex energy features close to the Mn absorption edges. Systematic modeling…
Spin-charge-orbital ordered structures in doped layered manganites are investigated using an orbital-degenerate double-exchange model tightly coupled to Jahn-Teller distortions. In the ferromagnetic phase, unexpected diagonal stripes at…
Orbitally ordered states evolving coincidentally with structural distortions and magnetic ordering provide a novel route to controlling electronic and magnetic properties of materials through external fields. We report an unprecedented…
The weakly interacting S=1/2 dimers system Sr3Cr2O8 has been investigated by powder neutron diffraction and inelastic neutron scattering. Our data reveal a structural phase transition below room temperature corresponding to an…
The surprising inversion of the orbital- and magnetic-order transition temperatures in the RVO3 series with increasing the rare-earth radius makes the series unique among orbitally-ordered materials. Here, augmenting dynamical mean-field…
The low-temperature electronic and magnetic properties of NH$_4$V$_2$O$_5$, an isoelectronic analog of the spin-ladder compound $\alpha'$-NaV$_2$O$_5$, are investigated using DFT+$U$ calculations. Two charge-ordering patterns - zigzag and…
In this work we study the complex entanglement between spin interactions, electron correlation and Janh-Teller structural instabilities in the 5d$^1$ $J_{eff}=\frac{3}{2}$ spin-orbit coupled double perovskite $\rm Ba_2NaOsO_6$ using first…
The electronic, magnetic and orbital structures of KCrF_3 are determined in all its recently identified crystallographic phases (cubic, tetragonal, and monoclinic) with a set of {\it ab initio} LSDA and LSDA+U calculations. The…
The temperature dependence and anisotropy of optical spectral weights associated with different multiplet transitions is determined by the spin and orbital correlations. To provide a systematic basis to exploit this close relationship…
In this paper, we study the magnetic orders of two dimensional correlated topological insulators including the correlated Chern insulator and the correlated Z2 topological insulator at finite temperature. For the 2D correlated Chern…
We study the classical Heisenberg model for spins on a pyrochlore lattice interacting via long range dipole-dipole forces and nearest neighbor exchange. Antiferromagnetic exchange alone is known not to induce ordering in this system. We…
When matter is cooled from high temperatures, collective instabilities develop amongst its constituent particles that lead to new kinds of order. An anomaly in the specific heat is a classic signature of this phenomenon. Usually the…
Non-local order parameters in space-time are proposed to characterize the unconventional orbital-selective conducting state in fulleride superconductors, called the Jahn-Teller metal. In previous works, it has been argued that this state…
The phase diagram of $Pr_{1-x}Ca_xMnO_3$ is modified x $\le$ 0.3, which suggests a reevaluation of the phase diagram of other manganites in that doping region. Rather than an orbital ordered phase reaching up to high temperatures of…
The magnetism of Kitaev materials has been widely studied, but their charge properties and the coupling to other degrees of freedom are less known. Here we investigate the charge states of $\alpha$-RuCl$_3$, a promising Kitaev quantum spin…
We report the thermoelectric transport properties in the orbital-ordered Mott insulating phase of Ca$_2$RuO$_4$ close to and far from equilibrium. Near equilibrium conditions where the temperature gradient is only applied to the sample, an…
We present a theoretical study of a model heterostructure for a Mott-insulator sandwiched between two band insulators, such as SrTiO3/LaTiO3. Particular emphasis is given on the interplay between magnetism and inhomogeneous charge…
The (SrTiO$_3$)$_m$/(SrVO$_3$)$_n$ $d^0-d^1$ multilayer system is studied with first principles methods through the observed insulator-to-metal transition with increasing thickness of the SrVO$_3$ layer. When correlation effects with…
We introduce the concept of \emph{orbital altermagnetism}, a symmetry-protected magnetic order of pure orbital degrees of freedom. It is characterized with ordered anti-parallel orbital magnetic moments in real space but momentum-dependent…